5ESP

Crystal Structure of LAGLIDADG Meganuclease I-PanMI with coordinated Calcium ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2015-09-10
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	69.555, 78.442, 101.023
Unit cell angles	90.00, 92.38, 90.00

Refinement procedure

Resolution	30.969 - 2.995
R-factor	0.2296
Rwork	0.226
R-free	0.26920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4JEE
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.969	50.000	3.110
High resolution limit [Å]	2.995	6.460	3.000
Rmerge	0.157	0.049	0.850
Rmeas	0.173	0.054	0.933
Rpim	0.070	0.023	0.381
Total number of observations	127010
Number of reflections	21733
<I/σ(I)>	7.7
Completeness [%]	98.6	98.8	97.7
Redundancy	5.8	5.7	5.8
CC(1/2)		0.998	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	28% PEG 3350, 5mM Calcium Chloride